UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

12233107
12233107

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Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-phenyl-BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 -0.36 -13.57 0 7 0 73 443.532 3 ↓

Analogs

12233103
12233103

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Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-phenyl-BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.80 -0.37 -13.8 0 7 0 73 443.532 3 ↓

Analogs

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Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 13.5 -13.75 0 7 0 73 457.559 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(m-tolyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.44 13.5 -13.57 0 7 0 73 457.559 3 ↓

Analogs

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Popular Name: (3-chlorophenyl)-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-(3,4-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 13.35 -13.06 0 7 0 73 477.977 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-chlorophenyl)-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]BLAHone (3-chlorophenyl)-[2-(3,4-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.67 13.34 -13.07 0 7 0 73 477.977 3 ↓

Analogs

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Popular Name: (4-chlorophenyl)-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]BLAHone (4-chlorophenyl)-[2-(3,4-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 13.38 -11.98 0 7 0 73 477.977 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-chlorophenyl)-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]BLAHone (4-chlorophenyl)-[2-(3,4-dihydro…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.48 13.35 -11.82 0 7 0 73 477.977 3 ↓

Analogs

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Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 12.9 -12.16 0 7 0 73 461.522 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(4-fluorophenyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 12.9 -12.07 0 7 0 73 461.522 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 14.04 -13.71 0 7 0 73 471.586 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(3,4-dimethylphenyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 14.05 -13.6 0 7 0 73 471.586 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 14.36 -13.13 0 7 0 73 471.586 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(2,4-dimethylphenyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.84 14.71 -12.52 0 7 0 73 471.586 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(p-tolyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 13.63 -13.32 0 7 0 73 457.559 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]-(p-tolyl)BLAHone [2-(3,4-dihydro-2H-quinolin-1-yl…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 13.51 -13.31 0 7 0 73 457.559 3 ↓

Parameters Provided:

ring.id = 97611
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 97611 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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